Regulation mechanism of the solvent coligands on the magnetic properties of azido-Cu(II) complexes by mixed carboxylate/alkanols ligands: A theoretical exploration

Luo, SC; Xiao, WH; Sun, XY; Zheng, PF

Luo, SC (corresponding author), Guizhou Univ Engn Sci, Coll Chem Engn, Bijie 551700, Peoples R China.; Luo, SC (corresponding author), Guizhou Prov Key Lab Ecol Protect & Restorat Typ, Bijie 551700, Peoples R China.; Luo, SC (corresponding author), Bijie Engn Res Ctr Industrializat Tradit Chinese, Bijie 551700, Peoples R China.

POLYHEDRON, 2021; 205 ():

Abstract

Combined density functional theory simulations at B1LYP/TZV and broken symmetry approach, have been employed to investigate the magnetic properties of......

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